#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctk s SER 2 N 0.00 -0.66 0.27 1.61 0.01 -1.26 -5.16 113.70 108.50 2ctk s SER 2 Ca 0.00 1.26 -0.03 0.00 1.31 0.00 0.00 55.95 58.49 2ctk s SER 2 Cb 0.00 1.78 -0.05 0.00 0.21 0.00 0.00 66.02 67.97 2ctk s SER 2 CO 0.00 -0.23 0.51 -0.44 0.41 0.00 0.00 173.24 173.49 2ctk s SER 3 N 2.74 6.42 0.00 2.44 0.01 -1.26 -4.99 113.70 119.06 2ctk s SER 3 Ca -0.04 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2ctk s SER 3 Cb -0.12 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2ctk s SER 3 CO -0.16 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2ctk n GLY 4 N -0.90 2.25 3.47 3.44 0.00 -1.26 -5.12 105.19 107.07 2ctk n GLY 4 Ca -0.03 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 2ctk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctk s SER 5 N 0.00 -0.75 0.17 1.61 0.01 -1.26 -5.06 113.70 108.43 2ctk s SER 5 Ca 0.00 1.24 -0.25 0.00 1.31 0.00 0.00 55.95 58.25 2ctk s SER 5 Cb 0.00 1.19 0.05 0.00 0.21 0.00 0.00 66.02 67.47 2ctk s SER 5 CO 0.00 -0.22 1.56 -1.28 0.41 0.00 0.00 173.24 173.71 2ctk h SER 6 N 7.17 -1.55 -5.00 2.44 0.87 -2.05 -3.48 113.55 111.95 2ctk h SER 6 Ca -0.31 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2ctk h SER 6 Cb 1.20 0.71 0.00 0.00 -0.44 0.00 0.00 62.40 63.87 2ctk h SER 6 CO 0.21 -0.32 0.00 0.61 -0.53 0.00 0.00 176.83 176.80 2ctk n GLY 7 N -1.40 3.00 3.64 5.77 0.00 -1.26 -5.01 105.19 109.93 2ctk n GLY 7 Ca 0.02 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2ctk n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctk s LYS 8 N -3.97 4.15 -0.15 1.61 1.02 -1.26 -5.02 119.74 116.11 2ctk s LYS 8 Ca 0.00 0.98 -0.13 0.00 0.02 0.00 0.00 55.97 56.84 2ctk s LYS 8 Cb 0.00 -3.67 0.04 0.00 -0.52 0.00 0.00 37.83 33.68 2ctk s LYS 8 CO 0.00 -0.61 0.40 -1.21 -0.92 0.00 0.00 175.35 173.01 2ctk s GLU 9 N 3.02 0.45 -0.30 1.68 2.02 -1.26 -5.15 118.70 119.16 2ctk s GLU 9 Ca 0.37 0.60 -0.12 0.00 0.02 0.00 0.00 54.97 55.85 2ctk s GLU 9 Cb -0.15 0.17 0.15 0.00 0.10 0.00 0.00 34.13 34.41 2ctk s GLU 9 CO 0.09 -0.08 0.79 0.00 0.02 0.00 0.00 175.26 176.08 2ctk s ALA 10 N 0.46 -2.37 -0.08 5.21 0.00 -1.26 -5.17 121.76 118.56 2ctk s ALA 10 Ca -0.02 2.17 -0.31 0.00 0.00 0.00 0.00 51.96 53.80 2ctk s ALA 10 Cb -0.04 -1.93 0.12 0.00 0.00 0.00 0.00 23.12 21.26 2ctk s ALA 10 CO -0.02 -0.98 1.00 -1.17 0.00 0.00 0.00 175.76 174.59 2ctk s LEU 11 N 2.72 -0.29 -0.21 0.00 2.96 -1.26 -5.18 118.68 117.42 2ctk s LEU 11 Ca -0.03 0.03 -0.16 0.00 -0.22 0.00 0.00 54.13 53.75 2ctk s LEU 11 Cb -0.10 1.80 0.06 0.00 0.50 0.00 0.00 46.19 48.45 2ctk s LEU 11 CO -0.18 -0.47 0.54 -1.83 -1.32 0.00 0.00 176.35 173.08 2ctk s GLU 12 N -2.73 0.60 -0.16 1.98 -1.05 -1.26 -5.16 118.70 110.93 2ctk s GLU 12 Ca 0.06 0.84 -0.06 0.00 -0.15 0.00 0.00 54.97 55.66 2ctk s GLU 12 Cb -0.01 0.21 0.07 0.00 -0.44 0.00 0.00 34.13 33.96 2ctk s GLU 12 CO -0.07 -0.11 0.34 0.00 0.95 0.00 0.00 175.26 176.38 2ctk s ALA 13 N 0.75 -0.85 -0.10 -0.84 0.00 -1.26 -5.07 121.76 114.39 2ctk s ALA 13 Ca -0.04 1.25 -0.06 0.00 0.00 0.00 0.00 51.96 53.12 2ctk s ALA 13 Cb -0.05 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 2ctk s ALA 13 CO -0.06 -0.53 -0.11 -0.07 0.00 0.00 0.00 175.76 174.99 2ctk h LEU 14 N 7.85 0.00 -9.77 0.00 3.38 -2.04 -3.47 115.31 111.26 2ctk h LEU 14 Ca -0.23 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.21 2ctk h LEU 14 Cb 1.13 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.93 2ctk h LEU 14 CO 0.20 0.54 0.66 0.54 0.09 0.00 0.00 178.44 180.47 2ctk s VAL 15 N -1.85 2.93 1.25 1.22 0.11 -1.26 -4.96 120.40 117.84 2ctk s VAL 15 Ca -0.09 0.83 -0.21 0.00 -2.93 0.00 0.00 61.98 59.58 2ctk s VAL 15 Cb 0.01 -3.53 0.31 0.00 -1.53 0.00 0.00 36.38 31.64 2ctk s VAL 15 CO 0.13 0.16 1.12 -2.16 -3.33 0.00 0.00 175.10 171.01 2ctk s PRO 16 N -0.83 -1.57 0.02 1.54 0.04 -1.26 -4.86 135.00 128.07 2ctk s PRO 16 Ca 0.54 -0.20 -0.09 0.00 0.04 0.00 0.00 61.00 61.29 2ctk s PRO 16 Cb -0.39 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2ctk s PRO 16 CO 0.45 -3.92 0.18 0.14 0.04 0.00 0.00 177.00 173.89 2ctk s VAL 17 N -3.03 0.09 -0.03 -0.36 -7.23 0.80 -4.85 120.40 105.80 2ctk s VAL 17 Ca 0.72 -0.77 -0.13 0.00 -1.81 0.00 0.00 61.98 59.99 2ctk s VAL 17 Cb -0.07 -0.67 -0.05 0.00 0.56 0.00 0.00 36.38 36.15 2ctk s VAL 17 CO 0.56 -0.42 0.36 -0.89 -0.31 0.00 0.00 175.10 174.39 2ctk s THR 18 N -1.90 5.13 0.49 5.32 2.01 -1.26 -0.88 115.64 124.56 2ctk s THR 18 Ca -0.10 0.72 0.02 0.00 0.31 0.00 0.00 61.69 62.63 2ctk s THR 18 Cb -0.04 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2ctk s THR 18 CO -0.00 0.57 0.03 0.27 -0.69 0.00 0.00 174.62 174.80 2ctk s ILE 19 N -0.97 1.01 -0.05 1.82 -4.36 0.14 -4.92 121.20 113.87 2ctk s ILE 19 Ca 0.22 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.64 2ctk s ILE 19 Cb -0.16 -2.17 0.01 0.00 1.25 0.00 0.00 42.46 41.39 2ctk s ILE 19 CO 0.11 0.00 -0.12 -1.61 0.24 0.00 0.00 174.94 173.56 2ctk s GLU 20 N -3.84 1.46 0.01 0.37 2.02 -1.26 -2.27 118.70 115.19 2ctk s GLU 20 Ca 0.08 -0.40 0.07 0.00 0.02 0.00 0.00 54.97 54.75 2ctk s GLU 20 Cb 0.01 -1.26 -0.02 0.00 0.10 0.00 0.00 34.13 32.96 2ctk s GLU 20 CO 0.05 0.09 -0.22 0.08 0.02 0.00 0.00 175.26 175.27 2ctk s VAL 21 N 0.43 1.79 -0.52 2.63 1.01 0.68 -4.96 120.40 121.45 2ctk s VAL 21 Ca -0.09 -1.10 -0.24 0.00 0.00 0.00 0.00 61.98 60.54 2ctk s VAL 21 Cb -0.13 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.77 2ctk s VAL 21 CO 0.02 0.38 0.91 -1.61 0.00 0.00 0.00 175.10 174.80 2ctk s GLU 22 N -0.86 3.37 -0.11 2.72 2.02 -1.26 -1.17 118.70 123.42 2ctk s GLU 22 Ca 0.09 -0.19 -0.05 0.00 0.02 0.00 0.00 54.97 54.84 2ctk s GLU 22 Cb -0.09 -4.02 0.05 0.00 0.10 0.00 0.00 34.13 30.17 2ctk s GLU 22 CO 0.01 -1.39 0.25 0.08 0.02 0.00 0.00 175.26 174.23 2ctk s VAL 23 N 3.79 -0.04 0.24 2.63 1.01 0.13 -4.98 120.40 123.17 2ctk s VAL 23 Ca 0.31 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2ctk s VAL 23 Cb -0.12 -0.38 -0.09 0.00 0.00 0.00 0.00 36.38 35.78 2ctk s VAL 23 CO 0.21 0.06 1.27 -2.16 0.00 0.00 0.00 175.10 174.48 2ctk s PRO 24 N 1.28 4.42 0.19 2.72 0.04 -1.26 -3.94 135.00 138.45 2ctk s PRO 24 Ca -0.09 2.05 0.13 0.00 0.04 0.00 0.00 61.00 63.13 2ctk s PRO 24 Cb -0.10 -3.17 0.71 0.00 0.04 0.00 0.00 34.50 31.98 2ctk s PRO 24 CO -0.09 -0.16 1.41 0.34 0.04 0.00 0.00 177.00 178.54 2ctk n PHE 25 N 1.97 0.44 0.63 0.56 -0.00 -1.26 -0.84 117.46 118.96 2ctk n PHE 25 Ca 0.04 0.23 0.10 0.00 -0.00 0.00 0.00 57.45 57.82 2ctk n PHE 25 Cb 0.43 -0.87 0.43 0.00 -0.00 0.00 0.00 39.48 39.48 2ctk n PHE 25 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2ctk n ASP 26 N -1.96 0.20 -0.02 -2.13 8.00 -1.26 -2.96 116.55 116.42 2ctk n ASP 26 Ca -0.01 0.54 0.01 0.00 0.71 0.00 0.00 54.79 56.04 2ctk n ASP 26 Cb 0.03 -0.59 -0.09 0.00 -0.02 0.00 0.00 41.12 40.45 2ctk n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ctk n LEU 27 N -1.71 0.00 -0.33 0.64 4.77 -0.02 -4.67 117.00 115.68 2ctk n LEU 27 Ca 0.04 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 2ctk n LEU 27 Cb 0.25 0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 2ctk n LEU 27 CO 0.20 0.11 0.50 0.45 -1.33 0.00 0.00 177.39 177.31 2ctk h HIS 28 N 0.00 -1.77 -1.34 -1.77 3.86 -1.48 1.11 115.15 113.76 2ctk h HIS 28 Ca -0.12 0.11 0.39 0.00 -1.16 0.00 0.00 60.37 59.59 2ctk h HIS 28 Cb 0.99 0.88 -0.06 0.00 1.06 0.00 0.00 27.41 30.28 2ctk h HIS 28 CO 0.00 -0.41 0.95 0.07 0.86 0.00 0.00 177.93 179.41 2ctk h ARG 29 N -0.12 0.02 0.02 2.45 0.11 -1.83 0.90 114.38 115.94 2ctk h ARG 29 Ca 0.15 -0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.95 2ctk h ARG 29 Cb 0.48 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.52 2ctk h ARG 29 CO -0.84 0.02 -1.49 1.88 0.10 0.00 0.00 179.97 179.64 2ctk h TYR 30 N 0.02 0.10 0.04 4.08 0.05 0.77 -3.20 116.97 118.83 2ctk h TYR 30 Ca 0.65 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 59.36 2ctk h TYR 30 Cb 2.53 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 40.27 2ctk h TYR 30 CO -0.00 1.10 -0.02 0.28 -1.05 0.00 0.00 178.16 178.47 2ctk h VAL 31 N 0.01 1.34 0.39 -2.88 2.07 0.44 -3.36 116.25 114.27 2ctk h VAL 31 Ca -0.21 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 2ctk h VAL 31 Cb 1.95 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.90 2ctk h VAL 31 CO 0.11 0.32 -0.22 0.40 0.02 0.00 0.00 177.57 178.20 2ctk h ILE 32 N -0.62 0.00 0.00 4.57 2.04 -0.83 -3.17 117.51 119.49 2ctk h ILE 32 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2ctk h ILE 32 Cb 0.56 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2ctk h ILE 32 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.77 2ctk n GLY 33 N -1.28 0.85 0.11 5.37 0.00 -1.21 -1.96 105.19 107.07 2ctk n GLY 33 Ca -0.07 -2.28 -0.12 0.00 0.00 0.00 0.00 46.02 43.56 2ctk n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ctk h GLN 34 N 0.00 0.27 -0.80 1.61 4.15 -1.94 -3.30 115.11 115.09 2ctk h GLN 34 Ca 0.00 -0.08 -0.50 0.00 0.77 0.00 0.00 58.65 58.85 2ctk h GLN 34 Cb 0.00 -0.03 -0.42 0.00 0.21 0.00 0.00 27.48 27.24 2ctk h GLN 34 CO 0.00 0.46 -0.87 1.63 -1.93 0.00 0.00 178.83 178.12 2ctk n LYS 35 N -4.78 3.21 -3.07 1.69 4.76 -1.26 -4.94 118.16 113.78 2ctk n LYS 35 Ca -0.05 -4.08 -0.20 0.00 -2.87 0.00 0.00 58.31 51.11 2ctk n LYS 35 Cb 0.19 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.25 2ctk n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctk n GLY 36 N -0.64 -0.50 0.11 0.72 0.00 -1.25 -4.84 105.19 98.79 2ctk n GLY 36 Ca 0.36 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 2ctk n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctk n SER 37 N -2.22 1.51 -0.16 1.61 3.41 -1.22 -3.25 113.62 113.31 2ctk n SER 37 Ca -0.07 0.25 -0.02 0.00 -0.26 0.00 0.00 58.87 58.77 2ctk n SER 37 Cb 0.58 -0.42 0.06 0.00 -0.26 0.00 0.00 64.21 64.17 2ctk n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2ctk h GLY 38 N 2.26 0.54 0.31 5.00 0.00 -1.61 -1.97 103.07 107.59 2ctk h GLY 38 Ca -0.39 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 2ctk h GLY 38 CO 0.07 -0.12 -0.17 -2.22 0.00 0.00 0.00 176.54 174.10 2ctk h ILE 39 N 0.15 1.62 -0.99 2.60 2.04 -1.50 -3.30 117.51 118.13 2ctk h ILE 39 Ca 0.25 -2.04 0.35 0.00 1.00 0.00 0.00 64.86 64.42 2ctk h ILE 39 Cb 0.37 2.96 -0.17 0.00 -0.74 0.00 0.00 36.82 39.24 2ctk h ILE 39 CO -0.39 0.55 0.39 0.03 0.00 0.00 0.00 178.15 178.73 2ctk h ARG 40 N -0.67 0.08 -0.36 2.37 3.08 -1.49 0.31 114.38 117.69 2ctk h ARG 40 Ca -0.02 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.10 2ctk h ARG 40 Cb 0.99 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.93 2ctk h ARG 40 CO 0.03 0.05 -0.26 -0.22 -1.07 0.00 0.00 179.97 178.51 2ctk h LYS 41 N 0.08 -0.20 -0.17 0.04 3.64 -1.44 0.03 116.57 118.55 2ctk h LYS 41 Ca 0.74 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 60.11 2ctk h LYS 41 Cb 1.79 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.64 2ctk h LYS 41 CO -0.76 -0.13 0.02 0.52 -2.27 0.00 0.00 179.45 176.82 2ctk h MET 42 N -0.21 0.29 -0.36 1.90 2.86 -0.59 -1.37 114.93 117.45 2ctk h MET 42 Ca 0.18 -0.09 0.10 0.00 -2.06 0.00 0.00 59.70 57.83 2ctk h MET 42 Cb 0.49 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2ctk h MET 42 CO -0.49 0.48 0.43 0.52 1.06 0.00 0.00 176.91 178.91 2ctk h MET 43 N 0.06 0.00 0.00 1.72 2.86 -0.62 0.39 114.93 119.34 2ctk h MET 43 Ca 0.05 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.43 2ctk h MET 43 Cb 0.34 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 2ctk h MET 43 CO 0.01 0.00 -1.69 -0.25 1.06 0.00 0.00 176.91 176.04 2ctk n ASP 44 N -3.63 0.78 -0.03 1.22 8.00 -0.07 -2.42 116.55 120.40 2ctk n ASP 44 Ca 0.06 0.37 -0.07 0.00 0.71 0.00 0.00 54.79 55.86 2ctk n ASP 44 Cb 0.59 0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.74 2ctk n ASP 44 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2ctk h GLU 45 N 0.00 -0.05 -0.00 -1.24 4.57 0.61 -3.32 114.58 115.16 2ctk h GLU 45 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2ctk h GLU 45 Cb 1.90 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.50 2ctk h GLU 45 CO 0.06 0.37 -0.04 1.19 -1.18 0.00 0.00 179.01 179.41 2ctk n PHE 46 N -4.75 0.00 -2.16 0.92 3.72 1.00 -4.90 117.46 111.29 2ctk n PHE 46 Ca -0.05 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.16 2ctk n PHE 46 Cb 0.21 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.36 2ctk n PHE 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2ctk n GLU 47 N -1.36 -1.46 -2.68 -1.08 1.02 -1.01 -4.90 120.64 109.17 2ctk n GLU 47 Ca 0.11 0.97 -0.14 0.00 -0.02 0.00 0.00 57.16 58.08 2ctk n GLU 47 Cb 0.29 -5.46 0.01 0.00 -0.02 0.00 0.00 31.44 26.26 2ctk n GLU 47 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2ctk n VAL 48 N -3.64 0.00 -3.79 2.62 0.24 -1.04 -4.96 118.33 107.75 2ctk n VAL 48 Ca -0.22 -1.24 -0.27 0.00 -2.04 0.00 0.00 64.34 60.58 2ctk n VAL 48 Cb 0.66 -0.35 -0.17 0.00 -1.47 0.00 0.00 33.84 32.51 2ctk n VAL 48 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2ctk s ASN 49 N -2.94 2.74 -0.17 -1.34 -0.87 -0.44 -4.46 114.94 107.45 2ctk s ASN 49 Ca 0.23 -0.69 -0.12 0.00 -1.57 0.00 0.00 52.86 50.70 2ctk s ASN 49 Cb -0.02 -0.69 -0.05 0.00 -0.02 0.00 0.00 41.25 40.48 2ctk s ASN 49 CO 0.14 -0.25 0.23 -0.63 -2.57 0.00 0.00 177.10 174.02 2ctk s ILE 50 N 1.79 5.34 -0.10 0.60 1.01 -1.26 -0.30 121.20 128.27 2ctk s ILE 50 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 60.65 61.11 2ctk s ILE 50 Cb -0.16 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2ctk s ILE 50 CO -0.07 0.41 -0.24 -1.00 0.00 0.00 0.00 174.94 174.04 2ctk s HIS 51 N 0.42 2.57 -0.08 3.97 3.76 0.59 -5.02 115.29 121.50 2ctk s HIS 51 Ca 0.13 -1.08 0.00 0.00 -0.15 0.00 0.00 55.06 53.97 2ctk s HIS 51 Cb -0.12 -1.72 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 2ctk s HIS 51 CO 0.02 -0.44 -0.07 0.08 -0.85 0.00 0.00 174.74 173.48 2ctk s VAL 52 N 0.39 3.71 0.21 -0.90 1.01 -1.26 -2.03 120.40 121.52 2ctk s VAL 52 Ca -0.18 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2ctk s VAL 52 Cb -0.18 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.59 2ctk s VAL 52 CO 0.08 0.59 1.29 -2.16 0.00 0.00 0.00 175.10 174.90 2ctk s PRO 53 N -0.68 4.40 1.09 2.72 0.04 -1.26 -5.00 135.00 136.31 2ctk s PRO 53 Ca 0.10 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 2ctk s PRO 53 Cb -0.11 -3.19 0.19 0.00 0.04 0.00 0.00 34.50 31.43 2ctk s PRO 53 CO 0.02 -0.22 0.68 0.00 0.04 0.00 0.00 177.00 177.52 2ctk n ALA 54 N 2.41 -2.90 0.24 8.56 0.00 -1.26 -4.82 120.51 122.74 2ctk n ALA 54 Ca 0.05 -1.05 0.12 0.00 0.00 0.00 0.00 53.44 52.57 2ctk n ALA 54 Cb 0.43 -1.87 0.56 0.00 0.00 0.00 0.00 19.45 18.57 2ctk n ALA 54 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ctk h PRO 55 N -2.26 0.00 0.00 0.00 0.13 -1.98 -2.66 132.00 125.23 2ctk h PRO 55 Ca -0.54 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 2ctk h PRO 55 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2ctk h PRO 55 CO 0.43 0.16 -0.11 1.05 -0.23 0.00 0.00 178.00 179.30 2ctk h GLU 56 N 0.00 0.00 0.00 0.86 4.11 -2.02 -3.14 114.58 114.39 2ctk h GLU 56 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.30 2ctk h GLU 56 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2ctk h GLU 56 CO 0.02 0.11 -0.60 -0.07 0.07 0.00 0.00 179.01 178.53 2ctk h LEU 57 N 0.00 0.00 -1.73 3.06 3.38 -1.81 -3.47 115.31 114.74 2ctk h LEU 57 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2ctk h LEU 57 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2ctk h LEU 57 CO 0.01 0.58 -0.85 0.00 0.09 0.00 0.00 178.44 178.28 2ctk n GLN 58 N -3.24 -4.24 -4.26 1.13 6.02 -1.19 -4.97 117.38 106.64 2ctk n GLN 58 Ca 0.01 0.52 -0.32 0.00 -0.01 0.00 0.00 57.00 57.21 2ctk n GLN 58 Cb 0.77 -4.94 -0.09 0.00 1.02 0.00 0.00 30.24 27.00 2ctk n GLN 58 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ctk s SER 59 N -4.22 5.04 -0.18 1.08 0.15 -1.26 -5.01 113.70 109.30 2ctk s SER 59 Ca 0.10 -0.07 0.17 0.00 0.70 0.00 0.00 55.95 56.84 2ctk s SER 59 Cb -0.05 -1.27 0.47 0.00 -1.71 0.00 0.00 66.02 63.47 2ctk s SER 59 CO 0.85 0.25 1.36 0.47 1.20 0.00 0.00 173.24 177.37 2ctk n ASP 60 N 1.17 3.44 -4.09 5.45 8.00 -1.26 -4.43 116.55 124.83 2ctk n ASP 60 Ca -0.13 -3.09 -0.32 0.00 0.71 0.00 0.00 54.79 51.95 2ctk n ASP 60 Cb 0.52 -0.53 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 2ctk n ASP 60 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ctk s ILE 61 N -2.87 2.06 0.07 0.53 -1.09 -1.25 -0.69 121.20 117.95 2ctk s ILE 61 Ca 0.40 -1.18 -0.16 0.00 -2.23 0.00 0.00 60.65 57.48 2ctk s ILE 61 Cb 0.33 -1.99 -0.06 0.00 -1.58 0.00 0.00 42.46 39.16 2ctk s ILE 61 CO 0.07 0.31 0.50 -0.63 -1.23 0.00 0.00 174.94 173.97 2ctk s ILE 62 N 1.23 4.88 -0.18 2.92 1.01 -0.32 -4.66 121.20 126.09 2ctk s ILE 62 Ca -0.00 0.96 -0.05 0.00 0.00 0.00 0.00 60.65 61.56 2ctk s ILE 62 Cb -0.16 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 2ctk s ILE 62 CO -0.10 0.48 0.01 0.00 0.00 0.00 0.00 174.94 175.33 2ctk s ALA 63 N -1.20 3.13 -0.11 9.38 0.00 -0.86 -0.23 121.76 131.87 2ctk s ALA 63 Ca 0.30 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.42 2ctk s ALA 63 Cb -0.17 -1.76 -0.00 0.00 0.00 0.00 0.00 23.12 21.19 2ctk s ALA 63 CO 0.17 0.05 -0.22 0.42 0.00 0.00 0.00 175.76 176.17 2ctk s ILE 64 N 0.64 2.19 -0.11 0.00 1.01 -0.96 -0.30 121.20 123.67 2ctk s ILE 64 Ca 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 2ctk s ILE 64 Cb -0.14 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 2ctk s ILE 64 CO 0.02 0.55 0.05 -0.89 0.00 0.00 0.00 174.94 174.67 2ctk s THR 65 N 0.38 4.71 0.00 2.92 2.01 0.58 0.26 115.64 126.50 2ctk s THR 65 Ca -0.17 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2ctk s THR 65 Cb -0.18 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.31 2ctk s THR 65 CO 0.08 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 175.20 2ctk n GLY 66 N 2.33 0.65 3.76 4.40 0.00 -0.05 -1.33 105.19 114.94 2ctk n GLY 66 Ca -0.19 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 2ctk n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ctk s LEU 67 N 0.00 4.45 0.28 0.99 1.43 -1.26 -0.14 118.68 124.43 2ctk s LEU 67 Ca 0.00 2.53 0.12 0.00 -1.03 0.00 0.00 54.13 55.74 2ctk s LEU 67 Cb 0.00 -3.63 0.93 0.00 0.03 0.00 0.00 46.19 43.52 2ctk s LEU 67 CO 0.00 -0.46 1.28 0.00 0.23 0.00 0.00 176.35 177.40 2ctk n ALA 68 N 1.45 0.69 -0.14 4.21 0.00 -1.26 0.21 120.51 125.66 2ctk n ALA 68 Ca 0.02 0.84 -0.09 0.00 0.00 0.00 0.00 53.44 54.20 2ctk n ALA 68 Cb 0.43 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 2ctk n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctk h ALA 69 N 1.62 0.55 -0.07 0.00 0.00 -1.98 -2.70 119.26 116.68 2ctk h ALA 69 Ca 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2ctk h ALA 69 Cb 1.55 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2ctk h ALA 69 CO -0.67 0.23 -0.05 -0.91 0.00 0.00 0.00 179.25 177.84 2ctk h ASN 70 N 0.54 0.16 -0.92 0.00 2.35 0.21 -3.15 115.58 114.77 2ctk h ASN 70 Ca 0.13 -0.46 0.23 0.00 -0.55 0.00 0.00 56.30 55.65 2ctk h ASN 70 Cb 0.31 -0.05 -0.13 0.00 0.05 0.00 0.00 38.32 38.51 2ctk h ASN 70 CO 0.00 0.59 0.42 -0.07 -1.65 0.00 0.00 177.43 176.73 2ctk h LEU 71 N -0.26 0.37 -0.03 1.61 3.38 -0.57 0.27 115.31 120.08 2ctk h LEU 71 Ca 0.01 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2ctk h LEU 71 Cb 0.54 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2ctk h LEU 71 CO 0.01 0.00 -0.03 0.44 0.09 0.00 0.00 178.44 178.96 2ctk h ASP 72 N 0.41 -0.08 0.41 -0.43 3.32 -1.44 0.57 116.42 119.18 2ctk h ASP 72 Ca 0.58 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.63 2ctk h ASP 72 Cb 1.12 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2ctk h ASP 72 CO -0.53 -0.04 -0.20 0.03 -1.72 0.00 0.00 179.24 176.78 2ctk h ARG 73 N -0.03 -0.53 0.63 3.56 3.08 -0.94 -2.26 114.38 117.88 2ctk h ARG 73 Ca 0.02 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2ctk h ARG 73 Cb 0.06 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2ctk h ARG 73 CO -0.05 -0.23 -0.47 0.00 -1.07 0.00 0.00 179.97 178.15 2ctk h ALA 74 N -0.39 -1.13 -0.88 0.04 0.00 -0.54 -2.57 119.26 113.79 2ctk h ALA 74 Ca -0.06 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 54.88 2ctk h ALA 74 Cb 0.55 0.62 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 2ctk h ALA 74 CO 0.09 -1.16 0.22 -0.22 0.00 0.00 0.00 179.25 178.18 2ctk h LYS 75 N -1.06 0.18 -0.73 0.00 3.64 0.06 0.71 116.57 119.37 2ctk h LYS 75 Ca -0.08 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2ctk h LYS 75 Cb 0.88 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.61 2ctk h LYS 75 CO 0.03 0.12 0.48 0.00 -2.27 0.00 0.00 179.45 177.81 2ctk h ALA 76 N 1.79 1.75 -0.07 5.00 0.00 -1.02 -1.54 119.26 125.16 2ctk h ALA 76 Ca 0.55 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 2ctk h ALA 76 Cb 1.12 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2ctk h ALA 76 CO -0.67 0.13 0.02 0.78 0.00 0.00 0.00 179.25 179.50 2ctk h GLY 77 N 0.72 0.12 0.92 0.00 0.00 0.79 -2.40 103.07 103.22 2ctk h GLY 77 Ca 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2ctk h GLY 77 CO -0.11 0.07 -0.10 -2.00 0.00 0.00 0.00 176.54 174.40 2ctk h LEU 78 N -0.09 -0.23 -0.43 3.11 5.85 -1.12 0.40 115.31 122.79 2ctk h LEU 78 Ca 0.02 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.77 2ctk h LEU 78 Cb 0.24 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 2ctk h LEU 78 CO -0.00 -0.09 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.64 2ctk h LEU 79 N -0.36 -0.99 -1.12 2.25 3.38 -1.32 0.19 115.31 117.35 2ctk h LEU 79 Ca -0.03 0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2ctk h LEU 79 Cb 0.28 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2ctk h LEU 79 CO 0.05 -0.30 -0.02 -0.33 0.09 0.00 0.00 178.44 177.93 2ctk h GLU 80 N -0.21 0.59 -0.12 1.13 5.08 -1.35 -2.29 114.58 117.41 2ctk h GLU 80 Ca 0.19 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2ctk h GLU 80 Cb 0.52 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2ctk h GLU 80 CO -0.55 0.63 -0.17 -0.09 -1.00 0.00 0.00 179.01 177.83 2ctk h ARG 81 N 0.56 0.20 -0.04 2.33 9.65 0.14 -1.91 114.38 125.31 2ctk h ARG 81 Ca 0.12 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 2ctk h ARG 81 Cb 0.39 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2ctk h ARG 81 CO 0.02 0.37 -0.19 0.28 2.80 0.00 0.00 179.97 183.25 2ctk h VAL 82 N 0.19 1.48 -0.05 0.20 2.07 -0.19 0.25 116.25 120.20 2ctk h VAL 82 Ca 0.04 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 2ctk h VAL 82 Cb 0.42 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2ctk h VAL 82 CO 0.03 0.47 -0.03 0.11 0.02 0.00 0.00 177.57 178.16 2ctk h LYS 83 N -0.38 0.06 0.10 1.57 1.57 -1.32 -1.23 116.57 116.94 2ctk h LYS 83 Ca -0.01 -0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.50 2ctk h LYS 83 Cb 0.86 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2ctk h LYS 83 CO 0.04 0.10 -1.31 1.49 -0.57 0.00 0.00 179.45 179.20 2ctk h GLU 84 N 0.06 0.20 -0.13 3.15 4.22 -1.35 -3.24 114.58 117.50 2ctk h GLU 84 Ca 0.02 -0.35 0.04 0.00 0.08 0.00 0.00 59.36 59.15 2ctk h GLU 84 Cb 0.10 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2ctk h GLU 84 CO 0.00 1.17 -0.12 -0.07 -2.18 0.00 0.00 179.01 177.81 2ctk h LEU 85 N -0.41 -0.37 -1.44 1.64 3.38 -0.29 -1.55 115.31 116.26 2ctk h LEU 85 Ca -0.29 0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.79 2ctk h LEU 85 Cb 1.67 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.57 2ctk h LEU 85 CO 0.03 -0.16 0.42 0.06 0.09 0.00 0.00 178.44 178.88 2ctk h GLN 86 N -0.14 0.70 0.00 1.13 3.07 -1.40 -0.07 115.11 118.40 2ctk h GLN 86 Ca 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.78 2ctk h GLN 86 Cb 0.27 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 27.67 2ctk h GLN 86 CO -0.21 0.46 -0.04 0.00 0.09 0.00 0.00 178.83 179.13 2ctk h ALA 87 N 1.64 1.47 0.00 0.06 0.00 -1.32 -1.41 119.26 119.70 2ctk h ALA 87 Ca 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2ctk h ALA 87 Cb 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ctk h ALA 87 CO -0.07 0.05 -0.65 0.39 0.00 0.00 0.00 179.25 178.97 2ctk n GLU 88 N -3.82 0.47 -0.08 0.00 -0.58 -0.16 -2.52 120.64 113.95 2ctk n GLU 88 Ca -0.03 0.53 0.26 0.00 -0.42 0.00 0.00 57.16 57.50 2ctk n GLU 88 Cb 0.13 -1.70 0.70 0.00 -0.57 0.00 0.00 31.44 30.01 2ctk n GLU 88 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 2ctk h GLN 89 N -1.00 0.00 0.15 3.49 -0.00 -1.22 0.78 115.11 117.31 2ctk h GLN 89 Ca -0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 58.23 2ctk h GLN 89 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.12 2ctk h GLN 89 CO -0.03 0.00 -1.91 0.93 -0.00 0.00 0.00 178.83 177.81 2ctk h GLU 90 N 0.00 0.31 -0.85 0.06 5.08 -1.42 -3.38 114.58 114.38 2ctk h GLU 90 Ca 0.35 -0.53 0.15 0.00 -1.00 0.00 0.00 59.36 58.33 2ctk h GLU 90 Cb 1.66 0.20 -0.15 0.00 0.50 0.00 0.00 28.75 30.95 2ctk h GLU 90 CO -0.00 1.25 -0.29 0.22 -1.00 0.00 0.00 179.01 179.18 2ctk h ASP 91 N 0.08 -1.07 -1.00 1.42 3.58 -0.54 1.06 116.42 119.95 2ctk h ASP 91 Ca -0.40 0.27 0.26 0.00 0.42 0.00 0.00 57.03 57.58 2ctk h ASP 91 Cb 2.06 0.61 -0.07 0.00 1.72 0.00 0.00 39.33 43.65 2ctk h ASP 91 CO 0.12 -0.29 0.67 0.08 -2.88 0.00 0.00 179.24 176.93 2ctk h ARG 92 N -0.04 0.29 0.20 0.28 0.11 -1.70 0.29 114.38 113.80 2ctk h ARG 92 Ca 0.36 -0.02 -0.34 0.00 0.10 0.00 0.00 59.98 60.08 2ctk h ARG 92 Cb 0.61 -0.07 0.02 0.00 1.11 0.00 0.00 29.97 31.64 2ctk h ARG 92 CO -0.88 0.19 -1.61 0.00 0.10 0.00 0.00 179.97 177.77 2ctk h ALA 93 N 1.58 0.07 0.08 0.08 0.00 0.77 -3.36 119.26 118.48 2ctk h ALA 93 Ca 0.53 -1.04 0.02 0.00 0.00 0.00 0.00 54.91 54.42 2ctk h ALA 93 Cb 1.52 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 2ctk h ALA 93 CO -0.19 0.94 -0.28 1.25 0.00 0.00 0.00 179.25 180.97 2ctk h LEU 94 N 0.11 -0.82 -0.75 0.00 5.85 0.15 -3.46 115.31 116.39 2ctk h LEU 94 Ca -0.29 0.10 -0.35 0.00 0.84 0.00 0.00 57.88 58.18 2ctk h LEU 94 Cb 2.11 0.32 0.12 0.00 0.37 0.00 0.00 40.66 43.57 2ctk h LEU 94 CO 0.21 -0.36 -0.59 0.54 -0.34 0.00 0.00 178.44 177.90 2ctk n ARG 95 N -5.39 -6.79 -3.99 1.25 1.74 -0.57 -4.98 116.66 97.92 2ctk n ARG 95 Ca -0.06 0.73 -0.31 0.00 -0.77 0.00 0.00 57.85 57.44 2ctk n ARG 95 Cb 0.30 -5.45 -0.15 0.00 -1.02 0.00 0.00 32.46 26.15 2ctk n ARG 95 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ctk s SER 96 N -3.24 4.76 -0.15 0.55 0.15 -1.26 -5.08 113.70 109.43 2ctk s SER 96 Ca 0.50 -2.25 -0.36 0.00 0.70 0.00 0.00 55.95 54.53 2ctk s SER 96 Cb -0.22 -1.65 -0.13 0.00 -1.71 0.00 0.00 66.02 62.31 2ctk s SER 96 CO 0.61 -0.38 1.84 0.33 1.20 0.00 0.00 173.24 176.85 2ctk n PHE 97 N 4.14 2.24 -4.01 3.44 -0.00 -1.26 -4.95 117.46 117.07 2ctk n PHE 97 Ca 0.04 0.17 -0.08 0.00 -0.00 0.00 0.00 57.45 57.57 2ctk n PHE 97 Cb 0.41 -2.60 -0.09 0.00 -0.00 0.00 0.00 39.48 37.19 2ctk n PHE 97 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 2ctk s LYS 98 N 3.93 0.62 -0.10 -4.13 2.20 -1.26 -5.16 119.74 115.84 2ctk s LYS 98 Ca 0.95 -1.03 -0.01 0.00 -0.36 0.00 0.00 55.97 55.52 2ctk s LYS 98 Cb -0.82 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 35.70 2ctk s LYS 98 CO 0.56 -0.14 -0.05 0.45 -0.36 0.00 0.00 175.35 175.81 2ctk s SER 99 N -2.63 4.74 -0.53 1.43 0.15 -1.26 -5.07 113.70 110.53 2ctk s SER 99 Ca 0.02 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.66 2ctk s SER 99 Cb 0.04 -1.43 0.16 0.00 -1.71 0.00 0.00 66.02 63.07 2ctk s SER 99 CO -0.08 0.29 0.35 -0.83 1.20 0.00 0.00 173.24 174.17 2ctk s GLY 100 N -0.37 2.02 -0.22 9.45 0.00 -1.26 -5.09 107.32 111.84 2ctk s GLY 100 Ca 0.06 -3.01 -0.29 0.00 0.00 0.00 0.00 44.72 41.48 2ctk s GLY 100 CO 0.02 1.51 1.61 2.56 0.00 0.00 0.00 173.10 178.80 2ctk s PRO 101 N -0.36 3.79 1.27 2.90 0.04 -1.26 -5.00 135.00 136.38 2ctk s PRO 101 Ca 0.24 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 62.73 2ctk s PRO 101 Cb -0.11 -4.03 0.31 0.00 0.04 0.00 0.00 34.50 30.71 2ctk s PRO 101 CO -0.11 -1.30 1.04 -1.54 0.04 0.00 0.00 177.00 175.13 2ctk s SER 102 N 4.23 0.26 0.49 6.66 1.04 -1.26 -5.07 113.70 120.05 2ctk s SER 102 Ca 0.71 0.80 0.07 0.00 0.48 0.00 0.00 55.95 58.01 2ctk s SER 102 Cb -0.25 -1.14 0.01 0.00 0.10 0.00 0.00 66.02 64.74 2ctk s SER 102 CO 0.29 -4.55 0.39 -0.44 0.98 0.00 0.00 173.24 169.91 2ctk s SER 103 N -3.50 4.77 0.00 7.02 0.01 -1.26 -5.34 113.70 115.39 2ctk s SER 103 Ca 0.70 -1.04 0.07 0.00 1.31 0.00 0.00 55.95 56.99 2ctk s SER 103 Cb -0.12 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.14 2ctk s SER 103 CO 0.57 -0.90 0.74 0.61 0.41 0.00 0.00 173.24 174.67